SCHEMBL2562707

SCHEMBL2562707

OB(O)c1cc(F)ccc1OCCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HTR2C P28335 7/20 0.52
HTR2B P41595 2/20 0.52
HTR2A P28223 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2557491 0.99 TDP1 (0.52) SMN1; SMN2HTR2CHTR2BHTR2ATDP1
SCHEMBL29957394 0.92 CYP2D6 (0.54) SMN1; SMN2TSHRKDM4ECYP1A2CYP2D6
SCHEMBL2554683 0.86 HTR2C (0.53) HTR2CHTR2BHTR2ATSHRKDM4E
SCHEMBL15330448 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TDP1TSHRKDM4EMEN1
SCHEMBL2553669 0.83 SMN1; SMN2 (0.69) SMN1; SMN2TDP1TSHRKDM4EESR1
SCHEMBL2560075 0.82 TDP1 (0.65) SMN1; SMN2TDP1TSHRKDM4ECYP1A2
SCHEMBL8261149 0.81 SMN1; SMN2 (0.71) SMN1; SMN2TDP1LTA4HTSHRKDM4E
SCHEMBL2556568 0.81 TDP1 (0.67) SMN1; SMN2TDP1TSHRKDM4ECYP1A2
SCHEMBL14732769 0.80 SMN1; SMN2 (0.53) SMN1; SMN2HTR2CHTR2BHTR2ATDP1
SCHEMBL2804631 0.78 LTA4H (0.54) SMN1; SMN2HTR2CHTR2BHTR2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed